2-[2-(2-methylsulfanyl-6-oxidanylidene-4-phenyl-pyrimidin-1-yl)ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-(2-methylsulfanyl-6-oxidanylidene-4-phenyl-pyrimidin-1-yl)ethyl]isoindole-1,3-dione Openeye Name: 2-[2-(2-methylsulfanyl-6-oxo-4-phenyl-pyrimidin-1-yl)ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[2-(methylthio)-6-oxo-4-phenyl-1-pyrimidinyl]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-(2-methylsulfanyl-6-oxo-4-phenylpyrimidin-1-yl)ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[6-keto-2-(methylthio)-4-phenyl-pyrimidin-1-yl]ethyl]isoindoline-1,3-quinone Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC(=O)N1CCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4

Isomeric SMILES

CSC1=NC(=CC(=O)N1CCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4

InChI

InChI=1S/C21H17N3O3S/c1-28-21-22-17(14-7-3-2-4-8-14)13-18(25)23(21)11-12-24-19(26)15-9-5-6-10-16(15)20(24)27/h2-10,13H,11-12H2,1H3